simple_ui

app.py

@@ -1,15 +1,22 @@
 import streamlit as st
 from PIL import Image
 import numpy as np
+import pubchempy as pcp
+from rdkit import Chem
+from rdkit.Chem import Draw
 
 st.title("Image Average Pixel Calculator")
 uploaded_file = st.file_uploader("Upload an image", type=["png", "jpg", "jpeg"])
 if uploaded_file:
     image = Image.open(uploaded_file)
-    st.image(image, caption="Uploaded image", use_column_width=True)
-    image_np = np.array(image)
-    if image_np.ndim == 3:
-        avg_pixel = image_np.mean(axis=(0, 1))
-    else:
-        avg_pixel = image_np.mean()
-    st.write("Average pixel values:", avg_pixel)
+
+    
+    for smiles in ["CC=CC", "CC(=O)C"]:
+        cid = pcp.get_compounds(smiles, 'smiles')
+        name = cid[0].synonyms[0]
+        st.markdown("## Option 1 {}".format(name))
+        m = Chem.MolFromSmiles(smiles)
+        img = Draw.MolToImage(m)
+        st.image(img, use_container_width=False)
+        pubchem_url = "https://pubchem.ncbi.nlm.nih.gov/compound/{}".format(cid[0].cid)
+        st.markdown("[PubChem Link]({})".format(pubchem_url))

requirements.txt

@@ -1 +1,2 @@
-pubchempy
+pubchempy
+rdkit